Theoretical study of the structures of Mg(Al(B)H4)2 clusters
碩士 === 中原大學 === 化學研究所 === 101 === Mg(AlH4)2、Mg(BH4)2 and Mg(AlH4) (BH4) have been recently gained much dinterests as a potential material for hydrogen storage. In this work, we use Density functional theory (DFT) with b3lyp/6-311++g(d,p) to study the monomer and dimer of Mg(AlH4)2、Mg(BH4)2 and Mg(Al...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2013
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| Online Access: | http://ndltd.ncl.edu.tw/handle/37197278769729248076 |